General Information of the Compound
| Compound ID |
CP0469295
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| Compound Name |
US8952169, 186
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| Structure |
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| Formula |
C20H28FNO5S
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| Molecular Weight |
413.511
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| Canonical SMILES |
COCCS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2CCCCC2)cc1F
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| InChI |
InChI=1S/C20H28FNO5S/c1-26-9-10-28(24,25)22-20(23)17-11-16(15-7-8-15)19(12-18(17)21)27-13-14-5-3-2-4-6-14/h11-12,14-15H,2-10,13H2,1H3,(H,22,23)
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| InChIKey |
DSSSTXWTCIBGSG-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound
Protein ID: PT01105, Sodium channel protein type 5 subunit alpha
Protein ID: PT01000, Sodium channel protein type 9 subunit alpha